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Competing d and s Pairing Symmetries in Superconducting LaNiO emerge from LDA+FLEX Calculations
Griffin Heier, Kyungwha Park, Sergey Y. Savrasov
With recent discoveries of superconductivity in infinite--layer nickelates, and in LaNiO under high pressure, new opportunities appeared that yet another family o…
Calculated Spin Fluctuational Pairing Interaction in HgBa2CuO4 using LDA+FLEX Method
Griffin Heier, Sergey Y. Savrasov
A combination of density functional theory in its local density approximation (LDA) with k- and dependent self-energy found from fluctuational-exchange-type random phase approx…
Evidence for singular-phonon-induced nematic superconductivity in a topological superconductor candidate SrBiSe
Jinghui Wang, Kejing Ran, Shichao Li +11
Superconductivity mediated by phonons is typically conventional, exhibiting a momentum-independent s-wave pairing function, due to the isotropic interactions between electrons and…
Electron-Phonon Superconductivity in LaOFBiSe
Yanqing Feng, Hang-Chen Ding, Yongping Du +4
We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum and electron--phonon coupling for newly discovered superconductor LaOF…
Turning a Band Insulator Into an Exotic Superconductor
Xiangang Wan, Sergey Y. Savrasov
Understanding exotic, non s--wave--like states of Cooper pairs is important and may lead to new superconductors with higher critical temperatures and novel properties. Their existe…
Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaOFBiS: Evidence for an electron-phonon interaction near the charge-density-wave instability
Xiangang Wan, Hang-Chen Ding, Sergey Y. Savrasov +1
We discuss the electronic structure, lattice dynamics and electron-phonon interaction of newly discovered superconductor LaOFBiS using density functional base…
Reply to comment on "Doping Driven () Nesting and Magnetic Properties of FeTe Superconductors"
M. J. Han, S. Y. Savrasov
Inclusion of correlation effects affects quantitatively the agreement with experiment as far as the value of energy shift and the level of doping is concerned, and our original sta…
Doping Driven () Nesting and Magnetic Properties of FeTe Superconductors
Myung Joon Han, Sergey Y. Savrasov
To understand newly discovered superconductivity in Fe--based systems, we investigate electronic structure and magnetic properties of FeTe using first--principles density f…
Anisotropy, Itineracy, and Magnetic Frustration in High-Tc Iron Pnictides
Myung Joon Han, Quan Yin, Warren E. Pickett +1
Using first-principle density functional theory calculations combined with insight from a tight-binding representation, dynamical mean field theory, and linear response theory, we…
Strong Electron-Phonon Coupling in Yttrium under Pressure
Z. P. Yin, S. Y. Savrasov, W. E. Pickett
Linear response methods are applied to identify the increase in electron-phonon coupling in elemental yttrium that is responsible for its high superconducting critical temperature…
A density functional study of pressure induced superconductivity in P and its implication for spintronics
S. Ostanin, V. Trubitsin, J. B. Staunton +1
The stability of high-pressure phases of P has been studied using density functional theory and the local density approximation. Using a linear response technique, we have calculat…
Vibrational Modes in LiBC: Theory Compared with Experiment
J. M. An, H. Rosner, S. Y. Savrasov +1
The search for other superconductors in the MgB2 class currently is focussed on Li{1-x}BC, which when hole-doped (concentration x) should be a metal with the potential to be a bett…
Extreme Electron-Phonon Coupling in Boron-based Layered Superconductors
J. M. An, S. Y. Savrasov, H. Rosner +1
The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperat…
Is doped BaBiO a conventional superconductor?
V. Meregalli, S. Y. Savrasov
We report density functional calculations based on local density approximation (LDA) of the properties of doped barium bismuthates. Using linear-response approach developed in the…
Out-of-plane instability and electron-phonon contribution to s- and d-wave pairing in high-temperature superconductors; LDA linear-response calculation for doped CaCuO2 and a generic tight-binding model
O. K. Andersen, S. Y. Savrasov, O. Jepsen +1
The equilibrium structure, energy bands, phonon dispersions, and s- and d-channel electron-phonon interactions (EPIs) are calculated for the infinite-layer superconductor CaCuO2 do…